methyl 2-[[6-[(2-methoxycarbonylphenyl)-methyl-amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[(2-methoxycarbonylphenyl)-methyl-amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(2-methoxycarbonyl-N-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(2-methoxycarbonyl-N-methylanilino)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(2-methoxycarbonyl-N-methylanilino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(2-carbomethoxy-N-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C22H21N5O6 MolecularWeight: 451.43204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6/c1-25(16-11-7-5-9-14(16)21(28)32-3)19-18(27(30)31)20(24-13-23-19)26(2)17-12-8-6-10-15(17)22(29)33-4/h5-13H,1-4H3